5-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-2-fluorobenzamide

C17H21BrFNO — CID 60956316

IUPAC5-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-2-fluorobenzamide
SMILESO=C(c1cc(Br)ccc1F)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C17H21BrFNO/c18-13-6-9-16(19)15(10-13)17(21)20(14-7-8-14)11-12-4-2-1-3-5-12/h6,9-10,12,14H,1-5,7-8,11H2
InChIKeyYBEDQIJLYUOARW-UHFFFAOYSA-N
MW354.26 g/mol
LogP4.77
Rot. Bonds4

About 5-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-2-fluorobenzamide

5-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-2-fluorobenzamide (PubChem CID 60956316) has the molecular formula C17H21BrFNO and a molecular weight of 354.26 g/mol. Its IUPAC name is 5-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-2-fluorobenzamide
PubChem CID60956316
Molecular FormulaC17H21BrFNO
Molecular Weight354.26 g/mol
Exact Mass353.08
IUPAC Name5-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-2-fluorobenzamide
SMILESO=C(c1cc(Br)ccc1F)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C17H21BrFNO/c18-13-6-9-16(19)15(10-13)17(21)20(14-7-8-14)11-12-4-2-1-3-5-12/h6,9-10,12,14H,1-5,7-8,11H2
InChIKeyYBEDQIJLYUOARW-UHFFFAOYSA-N
XLogP4.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide
CID 60956169
1-(5-bromo-2-fluorophenyl)-3-cyclopentylpropan-1-one
CID 115784576
3,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylbenzamide
CID 107980320
2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide
CID 79723311
N-(cyclohexylmethyl)-N-cyclopropyl-3-fluoropyridine-4-carboxamide
CID 115646013
2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628749
4-bromo-N-cyclohexyl-N-ethyl-2-fluorobenzamide
CID 24693418
N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide
CID 61053717
5-bromo-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608490
5-bromo-2-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628689
(5-bromo-2-fluorophenyl)-cyclohexylmethanone
CID 79742820
5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
CID 65309509

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-2-fluorobenzamide (CID 60956316) is 5-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-2-fluorobenzamide is O=C(c1cc(Br)ccc1F)N(CC1CCCCC1)C1CC1.
What is the InChIKey of 5-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-2-fluorobenzamide?
The InChIKey is YBEDQIJLYUOARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrFNO/c18-13-6-9-16(19)15(10-13)17(21)20(14-7-8-14)11-12-4-2-1-3-5-12/h6,9-10,12,14H,1-5,7-8,11H2.
What are the key properties of 5-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-2-fluorobenzamide?
5-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-2-fluorobenzamide has a molecular weight of 354.26 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-2-fluorobenzamide is sourced from PubChem (CID 60956316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).